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Benzene, [(2-chloropropyl)thio]-
TL;DR: Benzene, [(2-chloropropyl)thio]- (CAS 5877-11-2) is a chemical compound with molecular formula C9H11ClS and molecular weight 186.03 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-chloropropylsulfanylbenzene
Also Known As: 2-chloropropylsulfanylbenzene, Benzene, [(2-chloropropyl)thio]-, [(2-chloropropyl)sulfanyl]benzene, 2-chloro-propylsulfanyl-benzene
| Molecular Formula | C9H11ClS |
|---|---|
| Molecular Weight | 186.03 g/mol |
| LogP | 3.9 |
| Topological Polar Surface Area | 25.3 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 3 |
| Exact Mass | 186.027 |
| Heavy Atoms | 11 |
| Complexity | 99.0 |
Chemical Identifiers
| CAS Number | 5877-11-2 |
|---|---|
| SMILES | CC(CSC1=CC=CC=C1)Cl |
| InChIKey | YCURWQOSASHTAZ-UHFFFAOYSA-N |
Product Overview
Benzene, [(2-chloropropyl)thio]- (CAS 5877-11-2), with molecular formula C9H11ClS and molecular weight 186.03 g/mol. IUPAC: 2-chloropropylsulfanylbenzene.
Chemical Property Profile of Benzene, [(2-chloropropyl)thio]-
Property Insights of Benzene, [(2-chloropropyl)thio]-
The XLogP value of 3.9 indicates that Benzene, [(2-chloropropyl)thio]- is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 25.3 Ų, Benzene, [(2-chloropropyl)thio]- exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Benzene, [(2-chloropropyl)thio]- has 0 hydrogen bond donor(s) and 1 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of Benzene, [(2-chloropropyl)thio]-?
The CAS number of Benzene, [(2-chloropropyl)thio]- is 5877-11-2.
What is the molecular formula of Benzene, [(2-chloropropyl)thio]-?
The molecular formula of Benzene, [(2-chloropropyl)thio]- is C9H11ClS.
What is the molecular weight of Benzene, [(2-chloropropyl)thio]-?
The molecular weight of Benzene, [(2-chloropropyl)thio]- is 186.03 g/mol.
Where can I buy Benzene, [(2-chloropropyl)thio]-?
You can request a quote for Benzene, [(2-chloropropyl)thio]- directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Benzene, [(2-chloropropyl)thio]-?
Yes, KEHONG BIO provides custom synthesis services for Benzene, [(2-chloropropyl)thio]- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.